SCHEMBL9857510

SCHEMBL9857510

O=C(CCl)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.80
MAPT P10636 2/20 0.77
MEN1 O00255 1/20 0.77
ALDH1A1 P00352 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
ALOX15 P16050 1/20 0.77
CYP2C19 P33261 1/20 0.77
THPO P40225 1/20 0.77
PMP22 Q01453 1/20 0.77
KMT2A Q03164 1/20 0.77
PTGER1 P34995 8/20 0.72
TP53 P04637 1/20 0.41
HSD17B3 P37058 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11829581 0.90 PTGER2 (0.94) PTGER2MAPTMEN1ALDH1A1CYP1A2
Pinadoline SCHEMBL29837240 0.89 PTGER2 (1.00) PTGER2MAPTMEN1ALDH1A1CYP1A2
Pinadoline SCHEMBL122117 0.89 PTGER2 (1.00) PTGER2MAPTMEN1ALDH1A1CYP1A2
SCHEMBL11839545 0.89 PTGER2 (0.79) PTGER2MAPTMEN1ALDH1A1CYP1A2
SCHEMBL11831961 0.88 PTGER2 (0.98) PTGER2MAPTMEN1ALDH1A1CYP1A2
SCHEMBL11835415 0.88 PTGER2 (0.71) PTGER2MAPTMEN1ALDH1A1CYP1A2
SCHEMBL11825133 0.87 PTGER2 (0.73) PTGER2MAPTMEN1ALDH1A1CYP1A2
SCHEMBL11832073 0.87 PTGER2 (0.73) PTGER2MAPTMEN1ALDH1A1CYP1A2
SCHEMBL11538299 0.87 PTGER2 (0.70) PTGER2MAPTMEN1ALDH1A1CYP1A2
SCHEMBL11825745 0.87 PTGER2 (0.82) PTGER2MAPTMEN1ALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0193822-B1 8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-(thio-, sulfinyl- and sulfonyl-containing acyl)hydrazides G.D. Searle & Co. (US) 1991-03-20 EP disclosed
US-4614617-A Intermediates for 8-chlorodibenz[(b,f)][1,4]oxazepine-10(11H)-carboxylic acid, 2-(sulfinyl- and sulfonyl-containing acyl)hydrazides G. D. SEARLE & CO. (US) 1986-09-30 US disclosed
EP-0193822-A2 8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-(thio-, sulfinyl- and sulfonyl-containing acyl)hydrazides G.D. Searle & Co. (US) 1986-09-10 EP disclosed
US-4559336-A 8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-(sulfinyl- and sulfonyl-containing acyl)hydrazides G.D. SEARLE & CO. (US) 1985-12-17 US disclosed
US-4170593-A ANTIINFLAMMATORY, ANTIDIARRHEA G. D. SEARLE & CO. (US) 1979-10-09 US disclosed
US-4125532-A ANTIINFLAMMATORY, ANTIDIARRHEA G. D. SEARLE & CO. (US) 1978-11-14 US disclosed
US-4045442-A ANTIINFLAMMATORY, ANTIDIARRHEA G. D. SEARLE & CO. (US) 1977-08-30 US disclosed